formic acid;7-phenoxyisoquinolin-4-ol

C16H13NO4 — CID 175369132

IUPACformic acid;7-phenoxyisoquinolin-4-ol
SMILESO=CO.Oc1cncc2cc(Oc3ccccc3)ccc12
InChIInChI=1S/C15H11NO2.CH2O2/c17-15-10-16-9-11-8-13(6-7-14(11)15)18-12-4-2-1-3-5-12;2-1-3/h1-10,17H;1H,(H,2,3)
InChIKeyHUVUNVCZNWIJOT-UHFFFAOYSA-N
MW283.28 g/mol
LogP3.43
Rot. Bonds2

About formic acid;7-phenoxyisoquinolin-4-ol

formic acid;7-phenoxyisoquinolin-4-ol (PubChem CID 175369132) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is formic acid;7-phenoxyisoquinolin-4-ol.

Molecular Properties

Compound Nameformic acid;7-phenoxyisoquinolin-4-ol
PubChem CID175369132
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Nameformic acid;7-phenoxyisoquinolin-4-ol
SMILESO=CO.Oc1cncc2cc(Oc3ccccc3)ccc12
InChIInChI=1S/C15H11NO2.CH2O2/c17-15-10-16-9-11-8-13(6-7-14(11)15)18-12-4-2-1-3-5-12;2-1-3/h1-10,17H;1H,(H,2,3)
InChIKeyHUVUNVCZNWIJOT-UHFFFAOYSA-N
XLogP3.43
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(7-phenoxyisoquinolin-4-yl) cyclopropanecarboxylate
CID 175369136
6-phenoxyisoquinoline
CID 170278308
6-(4-aminophenoxy)isoquinolin-4-ol
CID 174742458
1-bromo-7-phenoxyisoquinolin-4-ol
CID 86613478
bromo 4-hydroxy-7-phenoxyisoquinoline-3-carboxylate
CID 155163629
7-pentan-3-yloxyisoquinolin-4-ol
CID 150996288
hydron;isoquinolin-4-ol
CID 174960329
8-phenoxyphenanthridine-6-carbaldehyde
CID 178074620
(4-hydroxy-7-phenoxyisoquinolin-3-yl)-morpholin-4-ylmethanone
CID 156896926
2-[(4-methyl-7-phenoxyisoquinoline-3-carbonyl)amino]acetic acid
CID 70806926
2-iodo-4-phenoxyphenol
CID 10710201
2-methyl-4-phenoxyphenol
CID 23089676

Frequently Asked Questions

What is the IUPAC name of formic acid;7-phenoxyisoquinolin-4-ol?
The IUPAC name of formic acid;7-phenoxyisoquinolin-4-ol (CID 175369132) is formic acid;7-phenoxyisoquinolin-4-ol.
What is the SMILES notation for formic acid;7-phenoxyisoquinolin-4-ol?
The canonical SMILES for formic acid;7-phenoxyisoquinolin-4-ol is O=CO.Oc1cncc2cc(Oc3ccccc3)ccc12.
What is the InChIKey of formic acid;7-phenoxyisoquinolin-4-ol?
The InChIKey is HUVUNVCZNWIJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2.CH2O2/c17-15-10-16-9-11-8-13(6-7-14(11)15)18-12-4-2-1-3-5-12;2-1-3/h1-10,17H;1H,(H,2,3).
What are the key properties of formic acid;7-phenoxyisoquinolin-4-ol?
formic acid;7-phenoxyisoquinolin-4-ol has a molecular weight of 283.28 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;7-phenoxyisoquinolin-4-ol is sourced from PubChem (CID 175369132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).